Publications

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2015
Alabarse FG, Rouquette J, Coasne BA, Haidoux A, Paulmann C, Cambon O, Haines J.  2015.  Mechanism of H2O Insertion and Chemical Bond Formation in AlPO 4-54·x H2O at High Pressure. Journal of the American Chemical Society. 137(2):584-587.
Cuellar P, Philippe P, Bonelli S, Benahmed N, Brunier-Coulin F, Ngoma J, Delenne J-Y, Radjaï F.  2015.  Micromechanical analysis of the surface erosion of a cohesive soil by means of a coupled LBM-DEM model. IV International Conference on Particle-based Methods (PARTICLES 2015). PARTICLE-BASED METHODS IV-FUNDAMENTALS AND APPLICATIONS:519-528.
Berthonneau J, Grauby O, Jeannin C, Chaudanson D, Joussein E, Baronnet A.  2015.  Native Morphology of Hydrated Spheroidal Halloysite Observed by Environmental Transmission Electron Microscopy. Clays and Clay Minerals. 63(5):368-377.
Azéma E, Radjaï F, Dubois F.  2015.  Numerical simulation of granular media composed with irregular polyhedral particles: effect of particles' angularity. 2nd International Conference on Particle-Based Methods - Fundamentals and Applications (Particles). PARTICLE-BASED METHODS II: FUNDAMENTALS AND APPLICATIONS:222-228.
Bousige C, Botan A, Ulm F-J, Pellenq RJean-Marc, Coasne BA.  2015.  Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics. The Journal of Chemical Physics. 142(11):ArticleNumber:114112.
Bocquet M-L, Coasne BA, Pellenq RJean-Marc, Ulm F-J.  2015.  Organic–Clay Interfacial Chemical Bonds Probed by ab Initio Calculations. The Journal of Physical Chemistry C. 119(12):6511-6517.
Barboiu M, Cazade P-A, Le Duc Y, Legrand Y-M, Van Der Lee A, Coasne BA.  2015.  Polarized Water Wires under Confinement in Chiral Channels. The Journal of Physical Chemistry B. 119(28):8707-8717.
Barboiu M, Cazade P-A, Le Duc Y, Legrand Y-M, Van Der Lee A, Coasne BA.  2015.  Polarized Water Wires under Confinement in Chiral Channels. The Journal of Physical Chemistry B. 119(28):8707-8717.
Lépinay M, Broussous L, Licitra C, Bertin F, Rouessac V, Ayral A, Coasne BA.  2015.  Predicting Adsorption on Bare and Modified Silica Surfaces. The Journal of Physical Chemistry C. 119(11):6009-6017.
Lépinay M, Broussous L, Licitra C, Bertin F, Rouessac V, Ayral A, Coasne BA.  2015.  Probing the microporosity of low-k organosilica films: MP and t-plot methods applied to ellipsometric porosimetry data. Microporous and Mesoporous Materials. 217:119-124.
Ho LNgoc, Schuurman Y, Farrusseng D, Coasne BA.  2015.  Solubility of Gases in Water Confined in Nanoporous Materials: ZSM-5, MCM-41, and MIL-100. The Journal of Physical Chemistry C. 119(37):21547-21554.
Ori G, Massobrio C, Bouzid A., Coasne BA.  2015.  Springer Series in Materials ScienceMolecular Dynamics Simulations of Disordered MaterialsMolecular Modeling of Glassy Surfaces. 215:345-365.
Ori G, Massobrio C, Pradel A, Ribes M, Coasne BA.  2015.  Structure and Dynamics of Ionic Liquids Confined in Amorphous Porous Chalcogenides. Langmuir. 31(24):6742-6751.
Falk KI, Coasne BA, Pellenq RJean-Marc, Ulm F-J, Bocquet L.  2015.  Subcontinuum mass transport of condensed hydrocarbons in nanoporous media.. Nat Commun. 6:ArticleNumber:6949.
Ngoma J, Philippe P, Bonelli S, Cuellar P, Delenne J-Y, Radjaï F.  2015.  Transient regime to fluidized chimney within a granular bed by means of a 2D DEM/LBM modeling. IV International Conference on Particle-based Methods (PARTICLES 2015). PARTICLE-BASED METHODS IV-FUNDAMENTALS AND APPLICATIONS:558-566.
2014
Villemot F, Galarneau A, Coasne BA.  2014.  Adsorption and Dynamics in Hierarchical Metal-Organic Frameworks. Journal of Physical Chemistry C. 118(14):7423-7433.
Billemont P, Coasne BA, De Weireld G.  2014.  Adsorption of carbon dioxide-methane mixtures in porous carbons: effect of surface chemistry. Adsorption-Journal fo the International Adsorption Society. 20:453-463.
Villemot F, Galarneau A, Coasne BA.  2014.  Adsorption-based characterization of hierarchical metal–organic frameworks. Adsorption. 20:349-357.
Barboiu M, Le Duc Y, Gilles A, Cazade P-A, Michau M, Legrand Y-M, Van Der Lee A, Coasne BA, Parvizi P, Post J et al..  2014.  An artificial primitive mimic of the Gramicidin-A channel. Nature Communications. 5
Barboiu M, Le Duc Y, Gilles A, Cazade P-A, Michau M, Legrand Y-M, Van Der Lee A, Coasne BA, Parvizi P, Post J et al..  2014.  An artificial primitive mimic of the Gramicidin-A channel. Nature Communications. 5
Hantal G, Brochard L, Laubie H, Ebrahimi D, Pellenq RJean-Marc, Ulm F-J, Coasne BA.  2014.  Atomic-scale modelling of elastic and failure properties of clays. Molecular Physics. 112(9-10):1294-1305.
Manga ED, Blasco H, Da-Costa J. P, Drobek M, Ayral A, Le Clezio E, Despaux G, Coasne BA, Julbe A.  2014.  Effect of Gas Adsorption on Acoustic Wave Propagation in MFI Zeolite Membrane Materials: Experiment and Molecular Simulation. Langmuir. 30(34):10336-10343.
Falk KI, Coasne BA, Pellenq RJean-Marc.  2014.  Effect of temperature on adsorption of mixtures in porous materials. Molecular Simulation. 40(1-3 Special Issue: SI):45-51.
Carrier B, Vandamme M, Pellenq RJean-Marc, Van Damme H.  2014.  Elastic Properties of Swelling Clay Particles at Finite Temperature upon Hydration. Journal of Physical Chemistry C. 118(17):8933-8943.
Clauzier S, Ho LNgoc, Pera-Titus M., Farrusseng D, Coasne BA.  2014.  Enhanced H-2 Uptake of n-Alkanes Confined in Mesoporous Materials. Journal of Physical Chemistry C . 118(20):10720-10727.

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